Crystallography Open Database

Information card for entry 4083119

Preview

Coordinates	4083119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H63 B F4 Ir N7 O2
Calculated formula	C71 H59 B F4 Ir N7 O2
Title of publication	Comparative Study of Rhodium and Iridium Porphyrin Diaminocarbene and N-Heterocyclic Carbene Complexes
Authors of publication	Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	9
Pages of publication	2219
a	21.133 ± 0.0013 Å
b	13.6335 ± 0.0008 Å
c	22.5007 ± 0.0013 Å
α	90°
β	95.896 ± 0.001°
γ	90°
Cell volume	6448.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1812
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178720 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/31.	4083119.cif
115897	2014-06-05	cif/ Updating files of 4083118, 4083119, 4083120, 4083121, 4083122 Original log message: Adding full bibliography for 4083118--4083122.cif.	4083119.cif
112408	2014-05-01	cif/ Adding structures of 4083118, 4083119, 4083120, 4083121, 4083122 via cif-deposit CGI script.	4083119.cif